tert-butyl-[[4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl]azanium chloride

Systemtic Name: tert-butyl-[[4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl]azanium chloride Openeye Name: tert-butyl-[[4-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl]ammonium chloride CAS Name: tert-butyl-[[4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methoxy]-3-methoxyphenyl]methyl]ammonium chloride IUPAC Name: tert-butyl-[[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methoxy]-3-methoxyphenyl]methyl]azanium chloride Traditional Name: tert-butyl-[4-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methoxy]-3-methoxy-benzyl]ammonium chloride Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC1=CC(=C(C=C1)OCC2=CC3=C(C=C2)N(C(=O)N3C)C)OC.[Cl-]

Isomeric SMILES

CC(C)(C)[NH2+]CC1=CC(=C(C=C1)OCC2=CC3=C(C=C2)N(C(=O)N3C)C)OC.[Cl-]

InChI

InChI=1S/C22H29N3O3.ClH/c1-22(2,3)23-13-15-8-10-19(20(12-15)27-6)28-14-16-7-9-17-18(11-16)25(5)21(26)24(17)4;/h7-12,23H,13-14H2,1-6H3;1H